BDBM50343067 (S)-N-benzyl-3-(3-(3,4-dihydroxyphenyl)acrylamido)-2-oxo-4-phenylbutanamide::CHEMBL1770878

SMILES: Oc1ccc(C=CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCc2ccccc2)cc1O

InChI Key: InChIKey=KUMRQNVYNXFMAQ-NRFANRHFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343067   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain1 (Homo sapiens (Human))	BDBM50343067 ((S)-N-benzyl-3-(3-(3,4-dihydroxyphenyl)acrylamido)...) Show SMILES Oc1ccc(C=CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCc2ccccc2)cc1O |r,w:5.4| Show InChI InChI=1S/C26H24N2O5/c29-22-13-11-19(16-23(22)30)12-14-24(31)28-21(15-18-7-3-1-4-8-18)25(32)26(33)27-17-20-9-5-2-6-10-20/h1-14,16,21,29-30H,15,17H2,(H,27,33)(H,28,31)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain using Suc-Leu-Tyr-AMC fluorogenic substrate after 30 mins by spectrofluorimetery				Bioorg Med Chem Lett 21: 2850-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.077 BindingDB Entry DOI: 10.7270/Q27P8ZQQ
					More data for this Ligand-Target Pair